SEQ2FUN

BioLiP

PDB CCD ID: QY8
Number of entries in BioLiP: 2
Chemical formula: C6 H6 N4 O
InChI: InChI=1S/C6H6N4O/c7-6-9-4-3(1-2-8-4)5(11)10-6/h1-2H,(H4,7,8,9,10,11)
InChIKey: OLAFFPNXVJANFR-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385NC1=Nc2[nH]ccc2C(=O)N1
OpenEye OEToolkits 2.0.7c1c[nH]c2c1C(=O)NC(=N2)N
Name:2-amino-3H,4H,7H-pyrrolo[2,3-d]pyrimidin-4-one;
2-azanyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
ChEMBL: CHEMBL41044
ZINC: ZINC000100004527
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).